(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C26H33NO3 — CID 10272812

IUPAC(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCOc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1
InChIKeySTGPXBMWVQSDIL-LEQGEALCSA-N
MW407.55 g/mol
LogP4.90
Rot. Bonds10

About (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 10272812) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID10272812
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCOc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1
InChIKeySTGPXBMWVQSDIL-LEQGEALCSA-N
XLogP4.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 10272812) is (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is COc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is STGPXBMWVQSDIL-LEQGEALCSA-N. The full InChI is InChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1.
What are the key properties of (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
(2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 407.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2-methoxyphenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 10272812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).